6-fluoranyl-1-methyl-4-oxidanylidene-7-piperazin-1-yl-cinnoline-3-carboxylate

Systemtic Name: 6-fluoranyl-1-methyl-4-oxidanylidene-7-piperazin-1-yl-cinnoline-3-carboxylate Openeye Name: 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-cinnoline-3-carboxylate CAS Name: 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-3-cinnolinecarboxylate IUPAC Name: 6-fluoro-1-methyl-4-oxo-7-piperazin-1-ylcinnoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-1-methyl-7-piperazino-cinnoline-3-carboxylate Formula: C14H14FN4O3- MolecularWeight: 305.284363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)[O-])F)N3CCNCC3

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)[O-])F)N3CCNCC3

InChI

InChI=1S/C14H15FN4O3/c1-18-10-7-11(19-4-2-16-3-5-19)9(15)6-8(10)13(20)12(17-18)14(21)22/h6-7,16H,2-5H2,1H3,(H,21,22)/p-1